Chemical ID: 6897969

Cc1ccc(cc1)NC(=O)C(C)n2cnc3c(c2=O)c(cs3)c4ccc(c(c4)C)C
Chemical ID:
6897969
Name [?]:
2-[7-(3,4-dimethylphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-N-(p-tolyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(C)n2cnc3c(c2=O)c(cs3)c4ccc(c(c4)C)C
InChi [?]:
InChI=1/C24H23N3O2S/c1-14-5-9-19(10-6-14)26-22(28)17(4)27-13-25-23-21(24(27)29)20(12-30-23)18-8-7-15(2)16(3)11-18/h5-13,17H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,29,12,3,7,25,24,4,6,28,21,14,2,26,27,11,23,5,20,17,9,16,18,15,8,13,10,19,22/E:(5,6)(9,10)/rA:30cCCCCCCCNCOCCNCNCCCOCCSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s11;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s20;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O2S
All Atoms:53
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.6284
Area:634.409
Solvation:-3.23178
Coulombic:-44.2867
Bond Count [?]
All:33
Single:22
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:417.524
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.62
LogP (Chemaxon):5.67

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Descriptor Annotations

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